Bayesian optimisation for efficient material discovery: a mini review

Y **, PV Kumar - Nanoscale, 2023‏ - pubs.rsc.org
Bayesian optimisation (BO) has been increasingly utilised to guide material discovery. While
BO is advantageous due to its sample efficiency, flexibility and versatility, it is constrained by …

A tutorial on derivative-free policy learning methods for interpretable controller representations

JA Paulson, F Sorourifar… - 2023 American Control …, 2023‏ - ieeexplore.ieee.org
This paper provides a tutorial overview of recent advances in learning control policy
representations for complex systems. We focus on control policies that are determined by …

Bayesian-optimized hybrid kernel SVM for rolling bearing fault diagnosis

X Song, W Wei, J Zhou, G Ji, G Hussain, M **ao… - Sensors, 2023‏ - mdpi.com
We propose a new fault diagnosis model for rolling bearings based on a hybrid kernel
support vector machine (SVM) and Bayesian optimization (BO). The model uses discrete …

[HTML][HTML] Bayesian optimization as a flexible and efficient design framework for sustainable process systems

JA Paulson, C Tsay - Current Opinion in Green and Sustainable Chemistry, 2024‏ - Elsevier
Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-
evaluate black-box functions, with a broad range of real-world applications in science …

Multi-fidelity active learning with gflownets

A Hernandez-Garcia, N Saxena, M Jain, CH Liu… - arxiv preprint arxiv …, 2023‏ - arxiv.org
In the last decades, the capacity to generate large amounts of data in science and
engineering applications has been growing steadily. Meanwhile, machine learning has …

Learning and optimization under epistemic uncertainty with Bayesian hybrid models

EA Eugene, KD Jones, X Gao, J Wang… - Computers & Chemical …, 2023‏ - Elsevier
Abstract Hybrid (ie, grey-box) models are a powerful and flexible paradigm for predictive
science and engineering. Grey-box models use data-driven constructs to incorporate …

Machine learning-assisted discovery of flow reactor designs

T Savage, N Basha, J McDonough… - Nature Chemical …, 2024‏ - nature.com
Additive manufacturing has enabled the fabrication of advanced reactor geometries,
permitting larger, more complex design spaces. Identifying promising configurations within …

Multi-fidelity data-driven design and analysis of reactor and tube simulations

T Savage, N Basha, J McDonough, OK Matar… - Computers & Chemical …, 2023‏ - Elsevier
Optimizing complex reactor geometries is vital to promote enhanced efficiency. We present a
framework to solve this nonlinear, computationally expensive, and derivative-free problem …

Outlook: How I learned to Love machine learning (a personal perspective on machine learning in process systems engineering)

VM Zavala - Industrial & Engineering Chemistry Research, 2023‏ - ACS Publications
I have been thinking a lot about how machine learning (ML) and related areas (eg, artificial
intelligence, digitalization, and data science) are transforming and will transform our …

[HTML][HTML] Active machine learning for chemical engineers: a bright future lies ahead!

Y Ureel, MR Dobbelaere, Y Ouyang, K De Ras… - Engineering, 2023‏ - Elsevier
By combining machine learning with the design of experiments, thereby achieving so-called
active machine learning, more efficient and cheaper research can be conducted. Machine …